Molecular Optimization of Calcineurin Inhibitors for Prion Disease

This study mainly emphasizes on pharmacophore features available in the immunosuppressant drugs, especially Calcineurin inhibitors for human prion diseases. The structural and functional properties of FK506/Tacrolimus - a drug used for treatment of human prion diseases were enhanced through pharmacophore-assisted molecular optimization approach. Important pharmacophore features responsible for interaction with active site and intramolecular structural stability were elucidated.